C133H87N17 — CID 159044227
2-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]pyrazolo[1,5-a]quinoline;2-[4-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-2-pyridinyl]pyrazolo[1,5-a]quinoline (PubChem CID 159044227) has the molecular formula C133H87N17 and a molecular weight of 1923.28 g/mol. Its IUPAC name is 2-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]pyrazolo[1,5-a]quinoline;2-[4-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-2-pyridinyl]pyrazolo[1,5-a]quinoline.
| Compound Name | 2-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]pyrazolo[1,5-a]quinoline;2-[4-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-2-pyridinyl]pyrazolo[1,5-a]quinoline |
|---|---|
| PubChem CID | 159044227 |
| Molecular Formula | C133H87N17 |
| Molecular Weight | 1923.28 g/mol |
| Exact Mass | 1921.73 |
| IUPAC Name | 2-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]pyrazolo[1,5-a]quinoline;2-[4-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-2-pyridinyl]pyrazolo[1,5-a]quinoline |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4ccc5ccccc5n4n3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-c4cc5ccc6ccccc6n5n4)c3)nc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc5ccc6ccccc6n5n4)n3)cc2)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cc5ccc6ccccc6n5n4)n3)ccc2c1 |
| InChI | InChI=1S/C38H25N5.C35H22N4.C33H22N4.C27H18N4/c1-2-8-26(9-3-1)30-18-20-34(40-25-30)31-22-35(28-15-13-27(14-16-28)33-11-6-7-21-39-33)41-36(23-31)37-24-32-19-17-29-10-4-5-12-38(29)43(32)42-37;1-3-10-26-19-28(15-13-23(26)7-1)31-22-32(29-16-14-24-8-2-4-11-27(24)20-29)37-35(36-31)33-21-30-18-17-25-9-5-6-12-34(25)39(30)38-33;1-3-9-23(10-4-1)24-15-17-26(18-16-24)30-22-29(25-11-5-2-6-12-25)34-33(35-30)31-21-28-20-19-27-13-7-8-14-32(27)37(28)36-31;1-3-9-19(10-4-1)23-18-24(20-11-5-2-6-12-20)29-27(28-23)25-17-22-16-15-21-13-7-8-14-26(21)31(22)30-25/h1-25H;1-22H;1-22H;1-18H |
| InChIKey | JWLJHHWTAOPHRV-UHFFFAOYSA-N |
| XLogP | 31.82 |
| TPSA | 185.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 150 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1923.28 |
| LogP ≤ 5 | 31.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |